Geometry & MOs

Info

ID:	25781
PubChem CID:	630536
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	334.095357
ΔH_f, kcal/mol:	11.08
Dipole, Da:	7.87
IP(EA), eV:	-7.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(2-methyl-4-oxo-3,1-benzoxazin-6-yl)methyl]-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

CC(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=CC=CC=C4[N+](=C3)[O-]

DOS

IR

Vibrations